61727-09-1
2-METHYLSULFANYL-5-(4-NITROPHENYL)SULFANYLPYRIMIDINE-4-CARBOXYLIC ACID
Name2-METHYLSULFANYL-5-(4-NITROPHENYL)SULFANYLPYRIMIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
2-METHYLSULFANYL-5-(4-NITROPHENYL)SULFANYLPYRIMIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16657303
【English Synonyms】
【Formula】
C12 H9 N3 O4 S2
【MolWeight】
323.352
【Inchi】
InChI=1S/C12H9N3O4S2/c1-20-12-13-6-9(10(14-12)11(16)17)21-8-4-2-7(3-5-8)15(18)19/h2-6H,1H3,(H,16,17)
【InChIKey】
InChIKey=BSTIKLVTIBQRBR-UHFFFAOYSA-N
【SMILES】
CSc1ncc(c(n1)C(=O)O)Sc2ccc(cc2)[N+](=O)[O-]
【MOL File】
2-METHYLSULFANYL-5-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYLSULFANYL-5-(4-NITROPHENYL)SULFANYLPYRIMIDINE-4-CARBOXYLIC ACID.cml